N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C15H14N6 — CID 6865815

IUPACN-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCC(/C=N/Nc1ccc2nncn2n1)=C\c1ccccc1
InChIInChI=1S/C15H14N6/c1-12(9-13-5-3-2-4-6-13)10-16-18-14-7-8-15-19-17-11-21(15)20-14/h2-11H,1H3,(H,18,20)/b12-9+,16-10+
InChIKeyFHSHFEHQQNGWFW-JXTNESPGSA-N
MW278.32 g/mol
LogP2.63
Rot. Bonds4

About N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 6865815) has the molecular formula C15H14N6 and a molecular weight of 278.32 g/mol. Its IUPAC name is N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID6865815
Molecular FormulaC15H14N6
Molecular Weight278.32 g/mol
Exact Mass278.13
IUPAC NameN-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCC(/C=N/Nc1ccc2nncn2n1)=C\c1ccccc1
InChIInChI=1S/C15H14N6/c1-12(9-13-5-3-2-4-6-13)10-16-18-14-7-8-15-19-17-11-21(15)20-14/h2-11H,1H3,(H,18,20)/b12-9+,16-10+
InChIKeyFHSHFEHQQNGWFW-JXTNESPGSA-N
XLogP2.63
TPSA67.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 741597
2-Methyl-7-(3-pyridinyl)pyrazolo[1,5-a]pyrimidine
CID 736074
Benzyl-(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-amine
CID 219778
7-Amino-2-phenylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 2819025
4-[3-(Cyclopent-1-en-1-yl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329473
5-phenyl-1H-pyrazolo[3,4-b]pyridin-3-amine
CID 6539528
Akt-l-1
CID 10271028
BS-181
CID 49867929
5-Methyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 2295889
(1-Methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-o-tolyl-amine
CID 255410
N-benzyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 743063
(6-Ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-p-tolyl-amine
CID 1429569

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 6865815) is N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is CC(/C=N/Nc1ccc2nncn2n1)=C\c1ccccc1.
What is the InChIKey of N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is FHSHFEHQQNGWFW-JXTNESPGSA-N. The full InChI is InChI=1S/C15H14N6/c1-12(9-13-5-3-2-4-6-13)10-16-18-14-7-8-15-19-17-11-21(15)20-14/h2-11H,1H3,(H,18,20)/b12-9+,16-10+.
What are the key properties of N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 278.32 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 6865815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).